3-[hydrazinyl-(4-propoxyphenyl)methyl]-N,N-dimethylpentan-3-amine

C17H31N3O — CID 105241851

IUPAC3-[hydrazinyl-(4-propoxyphenyl)methyl]-N,N-dimethylpentan-3-amine
SMILESCCCOc1ccc(C(NN)C(CC)(CC)N(C)C)cc1
InChIInChI=1S/C17H31N3O/c1-6-13-21-15-11-9-14(10-12-15)16(19-18)17(7-2,8-3)20(4)5/h9-12,16,19H,6-8,13,18H2,1-5H3
InChIKeyNBBXAZDZKBOJLF-UHFFFAOYSA-N
MW293.46 g/mol
LogP3.10
Rot. Bonds9

About 3-[hydrazinyl-(4-propoxyphenyl)methyl]-N,N-dimethylpentan-3-amine

3-[hydrazinyl-(4-propoxyphenyl)methyl]-N,N-dimethylpentan-3-amine (PubChem CID 105241851) has the molecular formula C17H31N3O and a molecular weight of 293.46 g/mol. Its IUPAC name is 3-[hydrazinyl-(4-propoxyphenyl)methyl]-N,N-dimethylpentan-3-amine.

Molecular Properties

Compound Name3-[hydrazinyl-(4-propoxyphenyl)methyl]-N,N-dimethylpentan-3-amine
PubChem CID105241851
Molecular FormulaC17H31N3O
Molecular Weight293.46 g/mol
Exact Mass293.25
IUPAC Name3-[hydrazinyl-(4-propoxyphenyl)methyl]-N,N-dimethylpentan-3-amine
SMILESCCCOc1ccc(C(NN)C(CC)(CC)N(C)C)cc1
InChIInChI=1S/C17H31N3O/c1-6-13-21-15-11-9-14(10-12-15)16(19-18)17(7-2,8-3)20(4)5/h9-12,16,19H,6-8,13,18H2,1-5H3
InChIKeyNBBXAZDZKBOJLF-UHFFFAOYSA-N
XLogP3.10
TPSA50.52 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.46
LogP ≤ 53.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

[2-ethoxy-2-ethyl-1-(4-propoxyphenyl)butyl]hydrazine
CID 105275200
3-[hydrazinyl-[4-(trifluoromethyl)phenyl]methyl]-N,N-dimethylpentan-3-amine
CID 105241879
[2-ethyl-2-methoxy-1-(4-methoxyphenyl)butyl]hydrazine
CID 105275411
N',N'-dimethyl-1-(4-propoxyphenyl)ethane-1,2-diamine
CID 16784602
[(1S)-1-(4-butoxyphenyl)ethyl]hydrazine
CID 98014048
1-(4-cyclopropyloxyphenyl)-2-ethyl-1-N,2-N,2-N-trimethylbutane-1,2-diamine
CID 114519571
2,2-dimethyl-N-[1-(4-propoxyphenyl)ethyl]butan-1-amine
CID 103460837
[4-chloro-1-(4-propoxyphenyl)butyl]hydrazine
CID 105235769
1-(4-propoxyphenyl)propan-1-amine
CID 16783118
2,2,2-trifluoro-1-(4-propoxyphenyl)ethanamine
CID 63896619
2-ethyl-1-N,2-N,2-N-trimethyl-1-(4-methylphenyl)butane-1,2-diamine
CID 79061588
[3-cyclopentyl-1-(4-propoxyphenyl)propyl]hydrazine
CID 105303675

Frequently Asked Questions

What is the IUPAC name of 3-[hydrazinyl-(4-propoxyphenyl)methyl]-N,N-dimethylpentan-3-amine?
The IUPAC name of 3-[hydrazinyl-(4-propoxyphenyl)methyl]-N,N-dimethylpentan-3-amine (CID 105241851) is 3-[hydrazinyl-(4-propoxyphenyl)methyl]-N,N-dimethylpentan-3-amine.
What is the SMILES notation for 3-[hydrazinyl-(4-propoxyphenyl)methyl]-N,N-dimethylpentan-3-amine?
The canonical SMILES for 3-[hydrazinyl-(4-propoxyphenyl)methyl]-N,N-dimethylpentan-3-amine is CCCOc1ccc(C(NN)C(CC)(CC)N(C)C)cc1.
What is the InChIKey of 3-[hydrazinyl-(4-propoxyphenyl)methyl]-N,N-dimethylpentan-3-amine?
The InChIKey is NBBXAZDZKBOJLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31N3O/c1-6-13-21-15-11-9-14(10-12-15)16(19-18)17(7-2,8-3)20(4)5/h9-12,16,19H,6-8,13,18H2,1-5H3.
What are the key properties of 3-[hydrazinyl-(4-propoxyphenyl)methyl]-N,N-dimethylpentan-3-amine?
3-[hydrazinyl-(4-propoxyphenyl)methyl]-N,N-dimethylpentan-3-amine has a molecular weight of 293.46 g/mol, XLogP of 3.10, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[hydrazinyl-(4-propoxyphenyl)methyl]-N,N-dimethylpentan-3-amine is sourced from PubChem (CID 105241851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).